2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide

C18H16F3NO2S — CID 55593369

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(C(C)=O)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F3NO2S/c1-3-22(13-5-6-14(19)15(20)9-13)18(24)10-25-17-7-4-12(11(2)23)8-16(17)21/h4-9H,3,10H2,1-2H3
InChIKeyJRCXQGHFHWKLBN-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.45
Rot. Bonds6

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide (PubChem CID 55593369) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide
PubChem CID55593369
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide
SMILESCCN(C(=O)CSc1ccc(C(C)=O)cc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F3NO2S/c1-3-22(13-5-6-14(19)15(20)9-13)18(24)10-25-17-7-4-12(11(2)23)8-16(17)21/h4-9H,3,10H2,1-2H3
InChIKeyJRCXQGHFHWKLBN-UHFFFAOYSA-N
XLogP4.45
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]-methylamino]benzamide
CID 55907541
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
CID 55593466
2-amino-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 28794968
2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 51152684
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
N-(3,4-difluorophenyl)-N-ethyl-2-(4-methylphenyl)acetamide
CID 55592767
N-(4-acetylphenyl)-N-ethyl-2-isocyanosulfanylacetamide
CID 177297108
1-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55983329
2-(4-chlorophenoxy)-N-(3,4-difluorophenyl)-N-ethylacetamide
CID 55593364
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-benzylacetamide
CID 35432170
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfanyl-4-fluorobenzoic acid
CID 80557073

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide (CID 55593369) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide is CCN(C(=O)CSc1ccc(C(C)=O)cc1F)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide?
The InChIKey is JRCXQGHFHWKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c1-3-22(13-5-6-14(19)15(20)9-13)18(24)10-25-17-7-4-12(11(2)23)8-16(17)21/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide has a molecular weight of 367.39 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(3,4-difluorophenyl)-N-ethylacetamide is sourced from PubChem (CID 55593369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).